Reaction Details Report a problem with these data
Target
B1 bradykinin receptor
Ligand
BDBM50210368
Substrate
n/a
Meas. Tech.
ChEMBL_443978 (CHEMBL893140)
Ki
60±n/a nM
Citation
 Su, DS; Lim, JL; Markowitz, MK; Wan, BL; Murphy, KL; Reiss, DR; Harrell, CM; O'Malley, SS; Ransom, RW; Chang, RS; Pettibone, DJ; Tang, C; Prueksaritanont, T; Freidinger, RM; Bock, MG Potent bradykinin B1 receptor antagonists: 4-substituted phenyl cyclohexanes. Bioorg Med Chem Lett 17:3006-9 (2007) [PubMed]  Article 
Target
Name:
B1 bradykinin receptor
Synonyms:
B1 BRADYKININ | B1 bradykinin receptor | B1R | BDKRB1 | BK-1 receptor | BKRB1_HUMAN | BRADYB1 | Bradykinin B1 receptor
Type:
Enzyme
Mol. Mass.:
40508.87
Organism:
Homo sapiens (Human)
Description:
P46663
Residue:
353
Sequence:
MASSWPPLELQSSNQSQLFPQNATACDNAPEAWDLLHRVLPTFIISICFFGLLGNLFVLLVFLLPRRQLNVAEIYLANLAASDLVFVLGLPFWAENIWNQFNWPFGALLCRVINGVIKANLFISIFLVVAISQDRYRVLVHPMASRRQQRRRQARVTCVLIWVVGGLLSIPTFLLRSIQAVPDLNITACILLLPHEAWHFARIVELNILGFLLPLAAIVFFNYHILASLRTREEVSRTRCGGRKDSKTTALILTLVVAFLVCWAPYHFFAFLEFLFQVQAVRGCFWEDFIDLGLQLANFFAFTNSSLNPVIYVFVGRLFRTKVWELYKQCTPKSLAPISSSHRKEIFQLFWRN
  
Inhibitor
Name:
BDBM50210368
Synonyms:
CHEMBL234297 | N-(2-((4-cyano-4-(4-fluorophenyl)cyclohexyl)methylamino)pyridin-3-yl)-3,3,3-trifluoropropanamide
Type:
Small organic molecule
Emp. Form.:
C22H22F4N4O
Mol. Mass.:
434.4299
SMILES:
Fc1ccc(cc1)C1(CCC(CNc2ncccc2NC(=O)CC(F)(F)F)CC1)C#N |(1.92,-51.66,;1.14,-50.34,;-.4,-50.37,;-1.2,-49.04,;-.44,-47.7,;1.1,-47.68,;1.89,-49,;-1.23,-46.38,;-2.59,-47.2,;-3.91,-46.43,;-3.93,-44.88,;-5.28,-44.12,;-6.61,-44.89,;-7.93,-45.68,;-7.93,-47.23,;-9.26,-48,;-10.6,-47.23,;-10.6,-45.68,;-9.25,-44.92,;-9.27,-43.38,;-10.6,-42.59,;-11.93,-43.36,;-10.6,-41.06,;-11.93,-40.29,;-13.26,-39.52,;-11.16,-38.96,;-12.71,-41.62,;-2.6,-44.09,;-1.26,-44.85,;.1,-45.6,;1.41,-44.81,)|
Structure:
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